CID 21542994

856988-73-3

Structural Information

Molecular Formula
C8H18BrN
SMILES
CCN(CC)CCCCBr
InChI
InChI=1S/C8H18BrN/c1-3-10(4-2)8-6-5-7-9/h3-8H2,1-2H3
InChIKey
YYJVLJTVSBEAKJ-UHFFFAOYSA-N
Compound name
4-bromo-N,N-diethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

207.06226 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06954 143.0
[M+Na]+ 230.05148 152.2
[M-H]- 206.05498 146.9
[M+NH4]+ 225.09608 165.9
[M+K]+ 246.02542 142.7
[M+H-H2O]+ 190.05952 142.5
[M+HCOO]- 252.06046 164.9
[M+CH3COO]- 266.07611 191.7
[M+Na-2H]- 228.03693 149.4
[M]+ 207.06171 163.6
[M]- 207.06281 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe